quantumespresso:gipaw
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quantumespresso:gipaw [2020/03/20 15:27] koudai |
quantumespresso:gipaw [2020/03/28 17:37] koudai [使用上の注意] |
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| ====== 使用上の注意 ====== | ====== 使用上の注意 ====== | ||
| - | * 擬ポテンシャルはPAW型が推奨されています | + | * SCF計算をする際、occupations='tetrahedra' |
| - | * occupations=tetrahedra (あるいはtetrahedra_opt) は使用できません | + | |
quantumespresso/gipaw.txt · Last modified: 2021/06/27 22:04 (external edit)
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